SCHEMBL4282230

SCHEMBL4282230

Cn1nc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
HCRTR2 O43614 1/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4290635 0.82 ALDH1A1 (0.46) PKMMAPTMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL4281893 0.80 PKM (0.50) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4281389 0.76 RBP4 (0.38) MAPTKMT2AGAA
SCHEMBL4283350 0.73 SCN9A (0.39) KMT2AHCRTR2GAA
SCHEMBL4295523 0.72 HCRTR1 (0.36) MAPTHCRTR2POLB
SCHEMBL4281213 0.71 CHRNA4 (0.38) NPSR1MEN1KMT2A
SCHEMBL4282907 0.71 HCRTR1 (0.32) HCRTR2
SCHEMBL3494366 0.70 TEAD1 (0.50) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4286428 0.70 HCRTR1 (0.47) RAB9AMAPTSMN1; SMN2HCRTR2POLB
SCHEMBL4286026 0.70 HPGD (0.49) MAPTSMN1; SMN2KMT2APOLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PKM 847/4885NPC1 1165/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PKM 847/4885NPC1 1165/4885RAB9A 1247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.